PubChemLite - Fructose 2,6-biphosphate (C6H14O12P2)

Structural Information

Molecular Formula

SMILES

C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O

InChI

InChI=1S/C6H14O12P2/c7-2-6(18-20(13,14)15)5(9)4(8)3(17-6)1-16-19(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1

InChIKey

YXWOAJXNVLXPMU-ZXXMMSQZSA-N

Compound name

[(2S,3S,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(phosphonooxymethyl)oxolan-2-yl] dihydrogen phosphate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	341.00334	164.2
[M+Na]+	362.98528	168.1
[M-H]-	338.98878	156.8
[M+NH4]+	358.02988	175.4
[M+K]+	378.95922	170.4
[M+H-H2O]+	322.99332	157.1
[M+HCOO]-	384.99426	184.8
[M+CH3COO]-	399.00991	191.9
[M+Na-2H]-	360.97073	168.1
[M]+	339.99551	166.7
[M]-	339.99661	166.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

341.00334

164.2

[M+Na]+

362.98528

168.1

[M-H]-

338.98878

156.8

[M+NH4]+

358.02988

175.4

[M+K]+

378.95922

170.4

[M+H-H2O]+

322.99332

157.1

[M+HCOO]-

384.99426

184.8

[M+CH3COO]-

399.00991

191.9

[M+Na-2H]-

360.97073

168.1

[M]+

339.99551

166.7

[M]-

339.99661

166.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Fructose 2,6-biphosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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